SCHEMBL19906406

SCHEMBL19906406

C=C(C)C(=O)OCCCC1CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
THRB P10828 1/20 0.47
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
FKBP1A P62942 4/20 0.40
NAAA Q02083 3/20 0.38
EPHX1 P07099 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10073435 0.95 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL3477916 0.95 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL19789498 0.95 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL19844235 0.95 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL10073462 0.93 TSHR (0.57) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL23494112 0.93 TSHR (0.51) TSHRTHRBALDH1A1SMN1; SMN2FKBP1A
SCHEMBL3671748 0.91 SMN1; SMN2 (0.51) TSHRTHRBSMN1; SMN2FKBP1ANAAA
SCHEMBL16133527 0.89 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL3477059 0.89 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL14907410 0.89 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114381156-B Metal oxide dispersion composition, method for producing same, film composition containing same, optical film, and optical element 凯斯科技股份有限公司 2024-03-12 CN claimed
EP-2735444-B1 Lithographic printing plate precursor for newspaper printing and method for producing the same, and plate making method of lithographic printing plate FUJIFILM CORP (JP) 2018-02-28 EP disclosed